N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide

C16H17N5O3S — CID 9373420

IUPACN-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C16H17N5O3S/c1-20(10-14(22)17-9-12-5-4-8-24-12)15(23)11-25-16-19-18-13-6-2-3-7-21(13)16/h2-8H,9-11H2,1H3,(H,17,22)
InChIKeyABLBPYUBIIMHGD-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.19
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide

N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide (PubChem CID 9373420) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide
PubChem CID9373420
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C16H17N5O3S/c1-20(10-14(22)17-9-12-5-4-8-24-12)15(23)11-25-16-19-18-13-6-2-3-7-21(13)16/h2-8H,9-11H2,1H3,(H,17,22)
InChIKeyABLBPYUBIIMHGD-UHFFFAOYSA-N
XLogP1.19
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide with MolForge

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Related Compounds

2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide
CID 9373409
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9379488
[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium
CID 9377520
N-benzyl-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7889037
N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 9373294
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
CID 9253639
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 24638833
[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8508141
N,N-bis(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 44774984
N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 47096035
N-cyclopropyl-2-[[2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide
CID 51209289
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9253771

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide (CID 9373420) is N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide is CN(CC(=O)NCc1ccco1)C(=O)CSc1nnc2ccccn12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide?
The InChIKey is ABLBPYUBIIMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-20(10-14(22)17-9-12-5-4-8-24-12)15(23)11-25-16-19-18-13-6-2-3-7-21(13)16/h2-8H,9-11H2,1H3,(H,17,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide?
N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide is sourced from PubChem (CID 9373420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).